bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one

C184H200N44O27S6 — CID 158935777

About bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one

bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one (PubChem CID 158935777) has the molecular formula C184H200N44O27S6 and a molecular weight of 3652.31 g/mol. Its IUPAC name is bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one.

Molecular Properties

• Compound Name: bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one
• PubChem CID: 158935777
• Molecular Formula: C184H200N44O27S6
• Molecular Weight: 3652.31 g/mol
• Exact Mass: 3649.40
• IUPAC Name: bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one
• SMILES: C=CC(=O)Cc1ccc(C(=O)Cc2ccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)cc2)cc1.CC(=O)N1CCCC(NS(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)C1.CC(=O)N1CCCC(NS(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)C1.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cc(S(=O)(=O)N4CCC(O)CC4)ccn3)nc1N2C.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)N4CCC[C@@H](O)C4)c3)nc1N2C.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)N4CCC[C@H](O)C4)c3)nc1N2C.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)N4CC[C@@H](O)C4)c3)nc1N2C
• InChI: InChI=1S/C32H29N5O3.2C27H31N7O4S.2C25H28N6O4S.C24H27N7O4S.C24H26N6O4S/c1-5-25(38)17-21-7-11-23(12-8-21)29(39)18-22-9-13-24(14-10-22)34-32-33-19-28-30(35-32)36(3)27-15-6-20(2)16-26(27)31(40)37(28)4;2*1-17-10-11-23-22(13-17)26(36)33(4)24-15-28-27(30-25(24)32(23)3)29-19-7-5-9-21(14-19)39(37,38)31-20-8-6-12-34(16-20)18(2)35;2*1-16-9-10-21-20(12-16)24(33)30(3)22-14-26-25(28-23(22)29(21)2)27-17-6-4-8-19(13-17)36(34,35)31-11-5-7-18(32)15-31;1-15-4-5-19-18(12-15)23(33)30(3)20-14-26-24(28-22(20)29(19)2)27-21-13-17(6-9-25-21)36(34,35)31-10-7-16(32)8-11-31;1-15-7-8-20-19(11-15)23(32)29(3)21-13-25-24(27-22(21)28(20)2)26-16-5-4-6-18(12-16)35(33,34)30-10-9-17(31)14-30/h5-16,19H,1,17-18H2,2-4H3,(H,33,34,35);2*5,7,9-11,13-15,20,31H,6,8,12,16H2,1-4H3,(H,28,29,30);2*4,6,8-10,12-14,18,32H,5,7,11,15H2,1-3H3,(H,26,27,28);4-6,9,12-14,16,32H,7-8,10-11H2,1-3H3,(H,25,26,27,28);4-8,11-13,17,31H,9-10,14H2,1-3H3,(H,25,26,27)/t;;;2*18-;;17-/m...10.1/s1
• InChIKey: JJPZDSRWPKFZEJ-PCFGZHHJSA-N
• XLogP: 23.09
• TPSA: 839.95 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 56
• Rotatable Bonds: 34
• Heavy Atoms: 261
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3652.31
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one?

The IUPAC name of bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one (CID 158935777) is bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one.

What is the SMILES notation for bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one?

The canonical SMILES for bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one is C=CC(=O)Cc1ccc(C(=O)Cc2ccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)cc2)cc1.CC(=O)N1CCCC(NS(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)C1.CC(=O)N1CCCC(NS(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)C1.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cc(S(=O)(=O)N4CCC(O)CC4)ccn3)nc1N2C.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)N4CCC[C@@H](O)C4)c3)nc1N2C.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)N4CCC[C@H](O)C4)c3)nc1N2C.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)N4CC[C@@H](O)C4)c3)nc1N2C.

What is the InChIKey of bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one?

The InChIKey is JJPZDSRWPKFZEJ-PCFGZHHJSA-N. The full InChI is InChI=1S/C32H29N5O3.2C27H31N7O4S.2C25H28N6O4S.C24H27N7O4S.C24H26N6O4S/c1-5-25(38)17-21-7-11-23(12-8-21)29(39)18-22-9-13-24(14-10-22)34-32-33-19-28-30(35-32)36(3)27-15-6-20(2)16-26(27)31(40)37(28)4;2*1-17-10-11-23-22(13-17)26(36)33(4)24-15-28-27(30-25(24)32(23)3)29-19-7-5-9-21(14-19)39(37,38)31-20-8-6-12-34(16-20)18(2)35;2*1-16-9-10-21-20(12-16)24(33)30(3)22-14-26-25(28-23(22)29(21)2)27-17-6-4-8-19(13-17)36(34,35)31-11-5-7-18(32)15-31;1-15-4-5-19-18(12-15)23(33)30(3)20-14-26-24(28-22(20)29(19)2)27-21-13-17(6-9-25-21)36(34,35)31-10-7-16(32)8-11-31;1-15-7-8-20-19(11-15)23(32)29(3)21-13-25-24(27-22(21)28(20)2)26-16-5-4-6-18(12-16)35(33,34)30-10-9-17(31)14-30/h5-16,19H,1,17-18H2,2-4H3,(H,33,34,35);2*5,7,9-11,13-15,20,31H,6,8,12,16H2,1-4H3,(H,28,29,30);2*4,6,8-10,12-14,18,32H,5,7,11,15H2,1-3H3,(H,26,27,28);4-6,9,12-14,16,32H,7-8,10-11H2,1-3H3,(H,25,26,27,28);4-8,11-13,17,31H,9-10,14H2,1-3H3,(H,25,26,27)/t;;;2*18-;;17-/m...10.1/s1.

What are the key properties of bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one?

bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one has a molecular weight of 3652.31 g/mol, XLogP of 23.09, 34 rotatable bonds, 13 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(1-acetylpiperidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide);2-[3-[(3R)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypiperidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonyl-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,8,11-trimethyl-2-[4-[2-oxo-2-[4-(2-oxobut-3-enyl)phenyl]ethyl]anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 158935777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).